SCHEMBL4811208

SCHEMBL4811208

CC(C)CC(C)c1cc(C(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE2A O00408 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4807499 0.86 USP2 (0.31) USP2ALDH1A1GAAPKMHPGD
SCHEMBL4806372 0.76 CYP1A2 (0.32)
SCHEMBL4807043 0.75 ALDH1A1 (0.33) ALDH1A1PDE2A
SCHEMBL4811741 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4807725 0.75 ALDH1A1 (0.33) ALDH1A1PDE2A
SCHEMBL7089523 0.74 ALDH1A1 (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL4799932 0.73 SLC6A4 (0.33) USP2ALDH1A1GAAPKMHPGD
SCHEMBL4806935 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7803038 0.72 ALDH1A1 (0.39) ALDH1A1GAAALOX15
SCHEMBL7789585 0.71 CYP3A4 (0.43) ALDH1A1GAAHPGDALOX15HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021578-A8 USE OF ANGIOTENSIN- II (1-7) IN CELL TRANSPLANTATION AND AS AN AGENT FOR PREVENTING/TREATING NOROVIRUS INFECTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-10 WO disclosed
EP-1400516-B1 SUBSTITUTED ANILIDE DERIVATIVES, INTERMEDIATES THEREOF, AGRICULTURAL AND HORTICULTURAL CHEMICALS, AND THEIR USAGE NIHON NOHYAKU CO LTD (JP) 2011-12-07 EP disclosed
US-7459477-B2 Substituted N-phenyl-phenoxy nicotinic acid-(thio)amides and their use as herbicides NIHON NOHYAKU, CO., LTD. (JP) 2008-12-02 US disclosed
US-20040116744-A1 Substituted n-phenyl-phenoxy nicotinic acid-(thio)amides and their use as herbicides NIHON NOHYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1400516-A1 SUBSTITUTED ANILIDE DERIVATIVES, INTERMEDIATES THEREOF, AGRICULTURAL AND HORTICULTURAL CHEMICALS, AND THEIR USAGE Nihon Nohyaku Co., Ltd. (JP) 2004-03-24 EP disclosed